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9D53

PAK4 in complex with compound 7

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALBA BEAMLINE XALOC
Synchrotron siteALBA
BeamlineXALOC
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-10
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97926
Spacegroup nameP 41 21 2
Unit cell lengths62.703, 62.703, 149.792
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.124 - 2.468
Rwork0.186
R-free0.26270
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.712
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.620
High resolution limit [Å]2.4682.468
Number of reflections113901783
<I/σ(I)>13.071.45
Completeness [%]99.9
Redundancy15.9
CC(1/2)0.9100.910
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M Bis-Tris-Propane, pH 9.0, 10% PEG 20,000

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